Dear developer,
I have a simple question to ask. I would like to calculate the XAS of Ag M4,5 edges (3d->CB). According to the tutorial, I need to change Ag 3d orbital to VB and trialEnergy =-13.1 which is a little bit higher than the Eigenvalue -13.08 from ground state calculation. However, I am wondering how to add a new '<lo>' block? What is the value of this new 'lo l='? The Ag.xml file is attached below.
<?xml version="1.0" encoding="UTF-8"?>